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	hartrees
Energy at 0K	-695.881637
Energy at 298.15K	-695.883112
HF Energy	-695.881637
Nuclear repulsion energy	196.719602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	979	894	140.07
2	A'	646	590	16.43
3	A'	436	398	20.80
4	A'	190	173	7.07
5	A"	769	702	681.44
6	A"	549	502	2.22

Atom	x (Å)	y (Å)	z (Å)
S1	-0.310	-0.199	0.000
F2	1.169	0.190	0.000
F3	-0.310	0.082	1.595
F4	-0.310	0.082	-1.595

	S1	F2	F3	F4
S1		1.5291	1.6198	1.6198
F2	1.5291		2.1778	2.1778
F3	1.6198	2.1778		3.1903
F4	1.6198	2.1778	3.1903

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	87.463		F2	S1	F4	87.463
F3	S1	F4	159.976

All results from a given calculation for SF₃ (Sulfur trifluoride)

using model chemistry: HF/cc-pCVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	S	0.943
2	F	-0.223
3	F	-0.360
4	F	-0.360

	x	y	z	Total
	-0.563	-0.529	0.000	0.773
CHELPG
AIM
ESP

	x	y	z
x	2.723	0.049	0.000
y	0.049	2.266	0.000
z	0.000	0.000	3.840

<r²>	80.001
(<r²>)^1/2	8.944

All results from a given calculation for SF3 (Sulfur trifluoride)

using model chemistry: HF/cc-pCVTZ

States and conformations

All results from a given calculation for SF₃ (Sulfur trifluoride)